6-Hydroxy chlorzoxazone-d2

CAT: 0024-sc-490561Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-490561Size:1 mg

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CAS Number

1432065-00-3

Chemical Information

6-Hydroxy chlorzoxazone-d2

CAS Number	1432065-00-3
PubChem CID	126456096
IUPAC Name	5-chloro-4,7-dideuterio-6-hydroxy-3H-1,3-benzoxazol-2-one
Molecular Formula	C7H4ClNO3
Molecular Weight	187.57
XLogP	1.4
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	211

SMILES

[2H]C1=C2C(=C(C(=C1Cl)O)[2H])OC(=O)N2

InChI

InChI=1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11)/i1D,2D

InChIKey

AGLXDWOTVQZHIQ-QDNHWIQGSA-N

Chemical Structure

2D Structure

CAS: 1432065-00-3

CID: 126456096

Formula: C7H4ClNO3

MW: 187.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.57
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	187.0005242
Monoisotopic Mass	187.0005242
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	211
Isotope Atom Count	2
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-210516	6-Hydroxy chlorzoxazone
sc-217343	6-Hydroxy Chlorzoxazone-13C6
sc-211078	Chlorzoxazone
sc-217888	Chlorzoxazone-4,6,7-d3
sc-488168	1β-Hydroxy vitamin D2
sc-205886	Vitamin D2, 1a-Hydroxy-
sc-488538	1α-Hydroxy previtamin D2 +1α-Hydroxy vitamin D2 (mixture of 2 compounds)
sc-488177	25-Hydroxy Vitamin D2-d6
sc-206291	19-Hydroxy Androstendione-19-d2
sc-213335	1α-Hydroxy Vitamin D2-d3

Catalog	Name
CS-T-55782	6-Hydroxy Chlorzoxazone-d2
AR-C02564-01	6-Hydroxy Chlorzoxazone-d2-15N
HY-W016221S1	6-Hydroxy Chlorzoxazone-15N, d2
AR-C02561-01	6-Hydroxy Chlorzoxazone
TRC-H825122-2.5MG	6-Hydroxy Chlorzoxazone-13C6
HY-W016221R	6-Hydroxy Chlorzoxazone (Standard)
CS-O-16444	6 Hydroxy Chlorzoxazone-13C,15N
AR-C07274-01	6-Hydroxy Chlorzoxazone beta-D-Glucuronide-d2-15N Lithium Salt
TRC-H390621-100MG	6-Hydroxy Chlorzoxazone-D₂-¹⁵N
438637	6-Hydroxy Chlorzoxazone β-D-Glucuronide Lithium Salt